TL;DR: (5Z)-3-(furan-2-ylmethyl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one (CAS 1009438-61-2) is a chemical compound with molecular formula C27H23N3O3S2 and molecular weight 501.11807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-3-(furan-2-ylmethyl)-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-3-(furan-2-ylmethyl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one, (Z)-3-(furan-2-ylmethyl)-5-((1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-(furan-2-ylmethyl)-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C27H23N3O3S2 |
| Molecular Weight | 501.11807 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 501.11807 Da |
| Heavy Atoms | 35 |
| Complexity | 788.0 |
| SMILES | CCCOC1=CC=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CO4)C5=CC=CC=C5 |
| InChIKey | QRHUWMDAXMMEJM-JLPGSUDCSA-N |
The XLogP value of 6.1 indicates that (5Z)-3-(furan-2-ylmethyl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-3-(furan-2-ylmethyl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, (5Z)-3-(furan-2-ylmethyl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (5Z)-3-(furan-2-ylmethyl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is 1009438-61-2.
The molecular formula of (5Z)-3-(furan-2-ylmethyl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is C27H23N3O3S2.
The molecular weight of (5Z)-3-(furan-2-ylmethyl)-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is 501.11807 g/mol.
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